USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 LYS NZ :NH3+ 150:sc= 0.176 (180deg=-0.834) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 2 SER OG : rot -37:sc= 0.096 USER MOD Single : A 3 HIS : no HE2:sc= 0.79 K(o=0.79,f=-2.5!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 74:sc= 0.681 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 148:sc= 0.339 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0.134 (180deg=0.13) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 100:sc= 0.71 USER MOD Single : A 57 ASN : amide:sc= 0.994 K(o=0.99,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.821 K(o=0.82,f=-0.073) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.57) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 81 HIS : no HE2:sc= 0.384 K(o=0.38,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 23.230 11.556 -5.484 1.00 1.00 N ATOM 9 CA SER A 2 22.188 11.227 -4.495 1.00 1.00 C ATOM 10 C SER A 2 20.809 10.949 -5.109 1.00 1.00 C ATOM 11 O SER A 2 20.101 10.060 -4.639 1.00 1.00 O ATOM 12 CB SER A 2 22.083 12.338 -3.444 1.00 1.00 C ATOM 13 OG SER A 2 21.824 13.594 -4.056 1.00 1.00 O ATOM 0 HA SER A 2 22.504 10.295 -4.026 1.00 1.00 H new ATOM 0 HB2 SER A 2 21.287 12.102 -2.738 1.00 1.00 H new ATOM 0 HB3 SER A 2 23.010 12.392 -2.873 1.00 1.00 H new ATOM 0 HG SER A 2 22.314 13.652 -4.903 1.00 1.00 H new ATOM 19 N HIS A 3 20.444 11.625 -6.201 1.00 1.00 N ATOM 20 CA HIS A 3 19.185 11.386 -6.918 1.00 1.00 C ATOM 21 C HIS A 3 19.077 9.972 -7.522 1.00 1.00 C ATOM 22 O HIS A 3 17.975 9.430 -7.613 1.00 1.00 O ATOM 23 CB HIS A 3 18.991 12.468 -7.987 1.00 1.00 C ATOM 24 CG HIS A 3 18.907 13.873 -7.434 1.00 1.00 C ATOM 25 ND1 HIS A 3 18.512 14.248 -6.165 1.00 1.00 N ATOM 26 CD2 HIS A 3 19.202 15.023 -8.114 1.00 1.00 C ATOM 27 CE1 HIS A 3 18.576 15.586 -6.082 1.00 1.00 C ATOM 28 NE2 HIS A 3 18.991 16.109 -7.251 1.00 1.00 N ATOM 0 H HIS A 3 21.017 12.359 -6.617 1.00 1.00 H new ATOM 0 HA HIS A 3 18.380 11.446 -6.186 1.00 1.00 H new ATOM 0 HB2 HIS A 3 19.818 12.416 -8.695 1.00 1.00 H new ATOM 0 HB3 HIS A 3 18.080 12.253 -8.545 1.00 1.00 H new ATOM 0 HD1 HIS A 3 18.221 13.616 -5.419 1.00 1.00 H new ATOM 0 HD2 HIS A 3 19.539 15.084 -9.138 1.00 1.00 H new ATOM 0 HE1 HIS A 3 18.329 16.162 -5.202 1.00 1.00 H new ATOM 36 N MET A 4 20.200 9.333 -7.876 1.00 1.00 N ATOM 37 CA MET A 4 20.217 7.928 -8.318 1.00 1.00 C ATOM 38 C MET A 4 19.969 6.964 -7.149 1.00 1.00 C ATOM 39 O MET A 4 19.266 5.965 -7.310 1.00 1.00 O ATOM 40 CB MET A 4 21.553 7.586 -9.002 1.00 1.00 C ATOM 41 CG MET A 4 21.869 8.478 -10.210 1.00 1.00 C ATOM 42 SD MET A 4 20.651 8.409 -11.556 1.00 1.00 S ATOM 43 CE MET A 4 21.420 9.575 -12.713 1.00 1.00 C ATOM 0 H MET A 4 21.121 9.772 -7.865 1.00 1.00 H new ATOM 0 HA MET A 4 19.407 7.807 -9.037 1.00 1.00 H new ATOM 0 HB2 MET A 4 22.359 7.676 -8.273 1.00 1.00 H new ATOM 0 HB3 MET A 4 21.531 6.545 -9.325 1.00 1.00 H new ATOM 0 HG2 MET A 4 21.953 9.510 -9.869 1.00 1.00 H new ATOM 0 HG3 MET A 4 22.843 8.194 -10.607 1.00 1.00 H new ATOM 0 HE1 MET A 4 20.803 9.660 -13.608 1.00 1.00 H new ATOM 0 HE2 MET A 4 21.508 10.553 -12.239 1.00 1.00 H new ATOM 0 HE3 MET A 4 22.411 9.214 -12.988 1.00 1.00 H new ATOM 53 N LEU A 5 20.486 7.281 -5.957 1.00 1.00 N ATOM 54 CA LEU A 5 20.228 6.521 -4.726 1.00 1.00 C ATOM 55 C LEU A 5 18.767 6.671 -4.268 1.00 1.00 C ATOM 56 O LEU A 5 18.134 5.688 -3.886 1.00 1.00 O ATOM 57 CB LEU A 5 21.205 6.961 -3.618 1.00 1.00 C ATOM 58 CG LEU A 5 22.697 6.805 -3.973 1.00 1.00 C ATOM 59 CD1 LEU A 5 23.561 7.358 -2.838 1.00 1.00 C ATOM 60 CD2 LEU A 5 23.095 5.346 -4.209 1.00 1.00 C ATOM 0 H LEU A 5 21.103 8.081 -5.817 1.00 1.00 H new ATOM 0 HA LEU A 5 20.393 5.464 -4.936 1.00 1.00 H new ATOM 0 HB2 LEU A 5 21.011 8.006 -3.376 1.00 1.00 H new ATOM 0 HB3 LEU A 5 20.997 6.381 -2.719 1.00 1.00 H new ATOM 0 HG LEU A 5 22.859 7.359 -4.897 1.00 1.00 H new ATOM 0 HD11 LEU A 5 24.614 7.245 -3.094 1.00 1.00 H new ATOM 0 HD12 LEU A 5 23.335 8.414 -2.690 1.00 1.00 H new ATOM 0 HD13 LEU A 5 23.350 6.810 -1.920 1.00 1.00 H new ATOM 0 HD21 LEU A 5 24.155 5.293 -4.456 1.00 1.00 H new ATOM 0 HD22 LEU A 5 22.903 4.766 -3.306 1.00 1.00 H new ATOM 0 HD23 LEU A 5 22.510 4.938 -5.033 1.00 1.00 H new ATOM 72 N GLU A 6 18.197 7.876 -4.374 1.00 1.00 N ATOM 73 CA GLU A 6 16.769 8.132 -4.127 1.00 1.00 C ATOM 74 C GLU A 6 15.866 7.394 -5.129 1.00 1.00 C ATOM 75 O GLU A 6 14.862 6.802 -4.732 1.00 1.00 O ATOM 76 CB GLU A 6 16.482 9.642 -4.178 1.00 1.00 C ATOM 77 CG GLU A 6 17.089 10.409 -2.994 1.00 1.00 C ATOM 78 CD GLU A 6 16.876 11.921 -3.150 1.00 1.00 C ATOM 79 OE1 GLU A 6 17.593 12.538 -3.976 1.00 1.00 O ATOM 80 OE2 GLU A 6 15.992 12.468 -2.447 1.00 1.00 O ATOM 0 H GLU A 6 18.718 8.713 -4.637 1.00 1.00 H new ATOM 0 HA GLU A 6 16.540 7.749 -3.132 1.00 1.00 H new ATOM 0 HB2 GLU A 6 16.877 10.050 -5.109 1.00 1.00 H new ATOM 0 HB3 GLU A 6 15.404 9.801 -4.192 1.00 1.00 H new ATOM 0 HG2 GLU A 6 16.634 10.068 -2.064 1.00 1.00 H new ATOM 0 HG3 GLU A 6 18.155 10.194 -2.925 1.00 1.00 H new ATOM 87 N SER A 7 16.238 7.366 -6.415 1.00 1.00 N ATOM 88 CA SER A 7 15.550 6.567 -7.438 1.00 1.00 C ATOM 89 C SER A 7 15.612 5.063 -7.127 1.00 1.00 C ATOM 90 O SER A 7 14.595 4.372 -7.199 1.00 1.00 O ATOM 91 CB SER A 7 16.151 6.861 -8.818 1.00 1.00 C ATOM 92 OG SER A 7 15.386 6.244 -9.840 1.00 1.00 O ATOM 0 H SER A 7 17.028 7.899 -6.777 1.00 1.00 H new ATOM 0 HA SER A 7 14.498 6.851 -7.437 1.00 1.00 H new ATOM 0 HB2 SER A 7 16.186 7.938 -8.983 1.00 1.00 H new ATOM 0 HB3 SER A 7 17.178 6.499 -8.857 1.00 1.00 H new ATOM 0 HG SER A 7 15.784 6.444 -10.713 1.00 1.00 H new ATOM 98 N SER A 8 16.770 4.559 -6.686 1.00 1.00 N ATOM 99 CA SER A 8 16.946 3.159 -6.268 1.00 1.00 C ATOM 100 C SER A 8 16.082 2.800 -5.048 1.00 1.00 C ATOM 101 O SER A 8 15.434 1.751 -5.028 1.00 1.00 O ATOM 102 CB SER A 8 18.429 2.893 -5.981 1.00 1.00 C ATOM 103 OG SER A 8 18.659 1.512 -5.759 1.00 1.00 O ATOM 0 H SER A 8 17.621 5.115 -6.608 1.00 1.00 H new ATOM 0 HA SER A 8 16.611 2.520 -7.085 1.00 1.00 H new ATOM 0 HB2 SER A 8 19.034 3.237 -6.820 1.00 1.00 H new ATOM 0 HB3 SER A 8 18.743 3.464 -5.107 1.00 1.00 H new ATOM 0 HG SER A 8 19.611 1.364 -5.579 1.00 1.00 H new ATOM 109 N ALA A 9 15.994 3.695 -4.057 1.00 1.00 N ATOM 110 CA ALA A 9 15.104 3.545 -2.905 1.00 1.00 C ATOM 111 C ALA A 9 13.613 3.564 -3.299 1.00 1.00 C ATOM 112 O ALA A 9 12.830 2.759 -2.793 1.00 1.00 O ATOM 113 CB ALA A 9 15.431 4.647 -1.888 1.00 1.00 C ATOM 0 H ALA A 9 16.546 4.553 -4.034 1.00 1.00 H new ATOM 0 HA ALA A 9 15.275 2.566 -2.458 1.00 1.00 H new ATOM 0 HB1 ALA A 9 14.776 4.549 -1.022 1.00 1.00 H new ATOM 0 HB2 ALA A 9 16.469 4.552 -1.570 1.00 1.00 H new ATOM 0 HB3 ALA A 9 15.281 5.623 -2.349 1.00 1.00 H new ATOM 119 N GLU A 10 13.209 4.434 -4.230 1.00 1.00 N ATOM 120 CA GLU A 10 11.839 4.488 -4.759 1.00 1.00 C ATOM 121 C GLU A 10 11.465 3.220 -5.551 1.00 1.00 C ATOM 122 O GLU A 10 10.371 2.684 -5.378 1.00 1.00 O ATOM 123 CB GLU A 10 11.677 5.757 -5.612 1.00 1.00 C ATOM 124 CG GLU A 10 10.230 5.990 -6.062 1.00 1.00 C ATOM 125 CD GLU A 10 10.098 7.319 -6.817 1.00 1.00 C ATOM 126 OE1 GLU A 10 10.294 7.316 -8.056 1.00 1.00 O ATOM 127 OE2 GLU A 10 9.801 8.345 -6.157 1.00 1.00 O ATOM 0 H GLU A 10 13.830 5.129 -4.643 1.00 1.00 H new ATOM 0 HA GLU A 10 11.146 4.529 -3.918 1.00 1.00 H new ATOM 0 HB2 GLU A 10 12.018 6.620 -5.040 1.00 1.00 H new ATOM 0 HB3 GLU A 10 12.318 5.683 -6.490 1.00 1.00 H new ATOM 0 HG2 GLU A 10 9.908 5.170 -6.703 1.00 1.00 H new ATOM 0 HG3 GLU A 10 9.571 5.994 -5.194 1.00 1.00 H new ATOM 134 N GLU A 11 12.377 2.685 -6.366 1.00 1.00 N ATOM 135 CA GLU A 11 12.191 1.395 -7.048 1.00 1.00 C ATOM 136 C GLU A 11 12.132 0.214 -6.065 1.00 1.00 C ATOM 137 O GLU A 11 11.343 -0.714 -6.258 1.00 1.00 O ATOM 138 CB GLU A 11 13.314 1.168 -8.073 1.00 1.00 C ATOM 139 CG GLU A 11 13.184 2.083 -9.299 1.00 1.00 C ATOM 140 CD GLU A 11 14.353 1.874 -10.271 1.00 1.00 C ATOM 141 OE1 GLU A 11 15.496 2.260 -9.924 1.00 1.00 O ATOM 142 OE2 GLU A 11 14.111 1.317 -11.371 1.00 1.00 O ATOM 0 H GLU A 11 13.269 3.133 -6.574 1.00 1.00 H new ATOM 0 HA GLU A 11 11.230 1.440 -7.560 1.00 1.00 H new ATOM 0 HB2 GLU A 11 14.278 1.341 -7.595 1.00 1.00 H new ATOM 0 HB3 GLU A 11 13.301 0.127 -8.397 1.00 1.00 H new ATOM 0 HG2 GLU A 11 12.242 1.881 -9.809 1.00 1.00 H new ATOM 0 HG3 GLU A 11 13.156 3.124 -8.978 1.00 1.00 H new ATOM 149 N SER A 12 12.905 0.261 -4.976 1.00 1.00 N ATOM 150 CA SER A 12 12.825 -0.732 -3.894 1.00 1.00 C ATOM 151 C SER A 12 11.483 -0.666 -3.160 1.00 1.00 C ATOM 152 O SER A 12 10.900 -1.703 -2.849 1.00 1.00 O ATOM 153 CB SER A 12 13.972 -0.556 -2.891 1.00 1.00 C ATOM 154 OG SER A 12 15.233 -0.726 -3.519 1.00 1.00 O ATOM 0 H SER A 12 13.604 0.987 -4.817 1.00 1.00 H new ATOM 0 HA SER A 12 12.912 -1.712 -4.362 1.00 1.00 H new ATOM 0 HB2 SER A 12 13.917 0.436 -2.442 1.00 1.00 H new ATOM 0 HB3 SER A 12 13.865 -1.279 -2.082 1.00 1.00 H new ATOM 0 HG SER A 12 15.430 0.057 -4.075 1.00 1.00 H new ATOM 160 N LEU A 13 10.939 0.534 -2.937 1.00 1.00 N ATOM 161 CA LEU A 13 9.598 0.721 -2.372 1.00 1.00 C ATOM 162 C LEU A 13 8.523 0.191 -3.331 1.00 1.00 C ATOM 163 O LEU A 13 7.625 -0.528 -2.899 1.00 1.00 O ATOM 164 CB LEU A 13 9.424 2.212 -2.017 1.00 1.00 C ATOM 165 CG LEU A 13 8.145 2.583 -1.236 1.00 1.00 C ATOM 166 CD1 LEU A 13 8.325 3.979 -0.634 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.879 2.633 -2.100 1.00 1.00 C ATOM 0 H LEU A 13 11.420 1.409 -3.145 1.00 1.00 H new ATOM 0 HA LEU A 13 9.480 0.141 -1.457 1.00 1.00 H new ATOM 0 HB2 LEU A 13 10.287 2.527 -1.430 1.00 1.00 H new ATOM 0 HB3 LEU A 13 9.440 2.788 -2.942 1.00 1.00 H new ATOM 0 HG LEU A 13 8.011 1.803 -0.487 1.00 1.00 H new ATOM 0 HD11 LEU A 13 7.428 4.254 -0.079 1.00 1.00 H new ATOM 0 HD12 LEU A 13 9.182 3.977 0.039 1.00 1.00 H new ATOM 0 HD13 LEU A 13 8.493 4.701 -1.433 1.00 1.00 H new ATOM 0 HD21 LEU A 13 6.025 2.900 -1.478 1.00 1.00 H new ATOM 0 HD22 LEU A 13 7.004 3.379 -2.885 1.00 1.00 H new ATOM 0 HD23 LEU A 13 6.708 1.656 -2.551 1.00 1.00 H new ATOM 179 N ALA A 14 8.639 0.459 -4.635 1.00 1.00 N ATOM 180 CA ALA A 14 7.736 -0.092 -5.648 1.00 1.00 C ATOM 181 C ALA A 14 7.745 -1.635 -5.666 1.00 1.00 C ATOM 182 O ALA A 14 6.695 -2.258 -5.821 1.00 1.00 O ATOM 183 CB ALA A 14 8.092 0.503 -7.015 1.00 1.00 C ATOM 0 H ALA A 14 9.364 1.066 -5.018 1.00 1.00 H new ATOM 0 HA ALA A 14 6.714 0.190 -5.395 1.00 1.00 H new ATOM 0 HB1 ALA A 14 7.423 0.097 -7.774 1.00 1.00 H new ATOM 0 HB2 ALA A 14 7.984 1.587 -6.979 1.00 1.00 H new ATOM 0 HB3 ALA A 14 9.122 0.249 -7.265 1.00 1.00 H new ATOM 189 N TYR A 15 8.907 -2.259 -5.442 1.00 1.00 N ATOM 190 CA TYR A 15 9.025 -3.712 -5.268 1.00 1.00 C ATOM 191 C TYR A 15 8.342 -4.211 -3.979 1.00 1.00 C ATOM 192 O TYR A 15 7.600 -5.195 -4.023 1.00 1.00 O ATOM 193 CB TYR A 15 10.504 -4.121 -5.312 1.00 1.00 C ATOM 194 CG TYR A 15 10.706 -5.619 -5.202 1.00 1.00 C ATOM 195 CD1 TYR A 15 10.375 -6.448 -6.291 1.00 1.00 C ATOM 196 CD2 TYR A 15 11.178 -6.187 -4.001 1.00 1.00 C ATOM 197 CE1 TYR A 15 10.509 -7.845 -6.181 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.319 -7.584 -3.890 1.00 1.00 C ATOM 199 CZ TYR A 15 10.983 -8.419 -4.981 1.00 1.00 C ATOM 200 OH TYR A 15 11.111 -9.770 -4.883 1.00 1.00 O ATOM 0 H TYR A 15 9.798 -1.767 -5.376 1.00 1.00 H new ATOM 0 HA TYR A 15 8.498 -4.191 -6.093 1.00 1.00 H new ATOM 0 HB2 TYR A 15 10.946 -3.768 -6.244 1.00 1.00 H new ATOM 0 HB3 TYR A 15 11.037 -3.627 -4.499 1.00 1.00 H new ATOM 0 HD1 TYR A 15 10.018 -6.011 -7.212 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.431 -5.551 -3.166 1.00 1.00 H new ATOM 0 HE1 TYR A 15 10.249 -8.479 -7.016 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.684 -8.018 -2.971 1.00 1.00 H new ATOM 0 HH TYR A 15 11.450 -10.003 -3.994 1.00 1.00 H new ATOM 210 N ARG A 16 8.515 -3.513 -2.844 1.00 1.00 N ATOM 211 CA ARG A 16 7.796 -3.806 -1.584 1.00 1.00 C ATOM 212 C ARG A 16 6.278 -3.674 -1.731 1.00 1.00 C ATOM 213 O ARG A 16 5.539 -4.498 -1.200 1.00 1.00 O ATOM 214 CB ARG A 16 8.287 -2.895 -0.444 1.00 1.00 C ATOM 215 CG ARG A 16 9.733 -3.189 -0.012 1.00 1.00 C ATOM 216 CD ARG A 16 10.236 -2.196 1.043 1.00 1.00 C ATOM 217 NE ARG A 16 9.487 -2.298 2.310 1.00 1.00 N ATOM 218 CZ ARG A 16 9.595 -1.485 3.348 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.415 -0.466 3.366 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.867 -1.681 4.414 1.00 1.00 N ATOM 0 H ARG A 16 9.159 -2.726 -2.770 1.00 1.00 H new ATOM 0 HA ARG A 16 8.018 -4.845 -1.339 1.00 1.00 H new ATOM 0 HB2 ARG A 16 8.214 -1.855 -0.762 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.627 -3.012 0.416 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.792 -4.202 0.387 1.00 1.00 H new ATOM 0 HG3 ARG A 16 10.386 -3.151 -0.884 1.00 1.00 H new ATOM 0 HD2 ARG A 16 11.294 -2.376 1.233 1.00 1.00 H new ATOM 0 HD3 ARG A 16 10.151 -1.181 0.654 1.00 1.00 H new ATOM 0 HE ARG A 16 8.823 -3.068 2.393 1.00 1.00 H new ATOM 0 HH11 ARG A 16 11.005 -0.272 2.557 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.464 0.134 4.189 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.213 -2.463 4.448 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.953 -1.052 5.213 1.00 1.00 H new ATOM 234 N GLU A 17 5.807 -2.674 -2.473 1.00 1.00 N ATOM 235 CA GLU A 17 4.389 -2.484 -2.796 1.00 1.00 C ATOM 236 C GLU A 17 3.854 -3.598 -3.708 1.00 1.00 C ATOM 237 O GLU A 17 2.789 -4.145 -3.438 1.00 1.00 O ATOM 238 CB GLU A 17 4.208 -1.093 -3.432 1.00 1.00 C ATOM 239 CG GLU A 17 2.751 -0.719 -3.757 1.00 1.00 C ATOM 240 CD GLU A 17 1.842 -0.622 -2.522 1.00 1.00 C ATOM 241 OE1 GLU A 17 2.307 -0.110 -1.476 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.666 -1.038 -2.629 1.00 1.00 O ATOM 0 H GLU A 17 6.410 -1.957 -2.876 1.00 1.00 H new ATOM 0 HA GLU A 17 3.804 -2.540 -1.878 1.00 1.00 H new ATOM 0 HB2 GLU A 17 4.619 -0.343 -2.756 1.00 1.00 H new ATOM 0 HB3 GLU A 17 4.793 -1.049 -4.350 1.00 1.00 H new ATOM 0 HG2 GLU A 17 2.740 0.237 -4.280 1.00 1.00 H new ATOM 0 HG3 GLU A 17 2.340 -1.461 -4.441 1.00 1.00 H new ATOM 249 N ASP A 18 4.595 -3.992 -4.746 1.00 1.00 N ATOM 250 CA ASP A 18 4.228 -5.117 -5.614 1.00 1.00 C ATOM 251 C ASP A 18 4.221 -6.470 -4.880 1.00 1.00 C ATOM 252 O ASP A 18 3.416 -7.337 -5.215 1.00 1.00 O ATOM 253 CB ASP A 18 5.174 -5.153 -6.820 1.00 1.00 C ATOM 254 CG ASP A 18 4.728 -6.197 -7.847 1.00 1.00 C ATOM 255 OD1 ASP A 18 3.611 -6.025 -8.388 1.00 1.00 O ATOM 256 OD2 ASP A 18 5.500 -7.155 -8.095 1.00 1.00 O ATOM 0 H ASP A 18 5.470 -3.539 -5.010 1.00 1.00 H new ATOM 0 HA ASP A 18 3.203 -4.956 -5.949 1.00 1.00 H new ATOM 0 HB2 ASP A 18 5.206 -4.170 -7.289 1.00 1.00 H new ATOM 0 HB3 ASP A 18 6.186 -5.379 -6.484 1.00 1.00 H new ATOM 273 N LEU A 20 2.948 -6.848 -1.944 1.00 1.00 N ATOM 274 CA LEU A 20 1.600 -6.864 -1.351 1.00 1.00 C ATOM 275 C LEU A 20 0.547 -7.521 -2.268 1.00 1.00 C ATOM 276 O LEU A 20 -0.466 -8.013 -1.774 1.00 1.00 O ATOM 277 CB LEU A 20 1.151 -5.448 -0.937 1.00 1.00 C ATOM 278 CG LEU A 20 2.166 -4.619 -0.130 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.533 -3.294 0.295 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.698 -5.335 1.113 1.00 1.00 C ATOM 0 HA LEU A 20 1.672 -7.482 -0.456 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.896 -4.892 -1.840 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.238 -5.537 -0.349 1.00 1.00 H new ATOM 0 HG LEU A 20 3.016 -4.455 -0.793 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.256 -2.712 0.866 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.234 -2.733 -0.590 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.657 -3.491 0.913 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.408 -4.689 1.629 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.869 -5.570 1.780 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.197 -6.257 0.816 1.00 1.00 H new ATOM 292 N ARG A 21 0.805 -7.614 -3.584 1.00 1.00 N ATOM 293 CA ARG A 21 -0.008 -8.362 -4.572 1.00 1.00 C ATOM 294 C ARG A 21 0.012 -9.891 -4.358 1.00 1.00 C ATOM 295 O ARG A 21 -0.676 -10.630 -5.061 1.00 1.00 O ATOM 296 CB ARG A 21 0.473 -7.995 -5.992 1.00 1.00 C ATOM 297 CG ARG A 21 -0.632 -8.059 -7.059 1.00 1.00 C ATOM 298 CD ARG A 21 -0.072 -7.950 -8.485 1.00 1.00 C ATOM 299 NE ARG A 21 0.683 -6.700 -8.698 1.00 1.00 N ATOM 300 CZ ARG A 21 0.410 -5.712 -9.532 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.597 -5.735 -10.363 1.00 1.00 N ATOM 302 NH2 ARG A 21 1.171 -4.655 -9.554 1.00 1.00 N ATOM 0 H ARG A 21 1.612 -7.157 -4.009 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.048 -8.067 -4.435 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.890 -6.988 -5.975 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.280 -8.670 -6.278 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.179 -8.996 -6.957 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.346 -7.253 -6.889 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.578 -8.802 -8.684 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.893 -8.002 -9.200 1.00 1.00 H new ATOM 0 HE ARG A 21 1.522 -6.584 -8.129 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.218 -6.544 -10.389 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.762 -4.944 -10.986 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.974 -4.592 -8.929 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.963 -3.890 -10.196 1.00 1.00 H new ATOM 316 N GLY A 22 0.790 -10.371 -3.384 1.00 1.00 N ATOM 317 CA GLY A 22 0.832 -11.759 -2.913 1.00 1.00 C ATOM 318 C GLY A 22 0.388 -11.917 -1.452 1.00 1.00 C ATOM 319 O GLY A 22 0.780 -12.890 -0.802 1.00 1.00 O ATOM 0 H GLY A 22 1.441 -9.772 -2.876 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.192 -12.371 -3.548 1.00 1.00 H new ATOM 0 HA3 GLY A 22 1.847 -12.142 -3.021 1.00 1.00 H new ATOM 323 N ARG A 23 -0.402 -10.968 -0.919 1.00 1.00 N ATOM 324 CA ARG A 23 -0.839 -10.917 0.490 1.00 1.00 C ATOM 325 C ARG A 23 -2.345 -10.691 0.644 1.00 1.00 C ATOM 326 O ARG A 23 -3.011 -10.126 -0.227 1.00 1.00 O ATOM 327 CB ARG A 23 -0.096 -9.805 1.242 1.00 1.00 C ATOM 328 CG ARG A 23 1.429 -9.964 1.239 1.00 1.00 C ATOM 329 CD ARG A 23 2.002 -8.978 2.254 1.00 1.00 C ATOM 330 NE ARG A 23 3.465 -8.857 2.143 1.00 1.00 N ATOM 331 CZ ARG A 23 4.261 -8.225 2.988 1.00 1.00 C ATOM 332 NH1 ARG A 23 3.830 -7.665 4.090 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.536 -8.139 2.735 1.00 1.00 N ATOM 0 H ARG A 23 -0.765 -10.192 -1.472 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.602 -11.893 0.914 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.352 -8.844 0.795 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.447 -9.781 2.274 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.707 -10.985 1.499 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.832 -9.767 0.245 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.545 -7.999 2.106 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.741 -9.302 3.261 1.00 1.00 H new ATOM 0 HE ARG A 23 3.906 -9.303 1.338 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.839 -7.705 4.329 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.485 -7.189 4.710 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.917 -8.559 1.887 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.153 -7.652 3.385 1.00 1.00 H new ATOM 347 N LEU A 24 -2.858 -11.095 1.806 1.00 1.00 N ATOM 348 CA LEU A 24 -4.219 -10.789 2.251 1.00 1.00 C ATOM 349 C LEU A 24 -4.264 -9.409 2.931 1.00 1.00 C ATOM 350 O LEU A 24 -3.283 -8.927 3.505 1.00 1.00 O ATOM 351 CB LEU A 24 -4.718 -11.864 3.247 1.00 1.00 C ATOM 352 CG LEU A 24 -5.165 -13.238 2.710 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.252 -13.135 1.644 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.017 -14.073 2.144 1.00 1.00 C ATOM 0 H LEU A 24 -2.331 -11.654 2.477 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.867 -10.781 1.375 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.920 -12.038 3.969 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.557 -11.438 3.796 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.566 -13.741 3.590 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.525 -14.134 1.305 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.129 -12.643 2.065 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.880 -12.554 0.800 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.404 -15.027 1.784 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.549 -13.536 1.319 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.278 -14.252 2.925 1.00 1.00 H new ATOM 366 N GLY A 25 -5.453 -8.820 2.935 1.00 1.00 N ATOM 367 CA GLY A 25 -5.805 -7.571 3.597 1.00 1.00 C ATOM 368 C GLY A 25 -7.212 -7.592 4.200 1.00 1.00 C ATOM 369 O GLY A 25 -7.887 -8.622 4.233 1.00 1.00 O ATOM 0 H GLY A 25 -6.248 -9.229 2.444 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.080 -7.367 4.385 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.735 -6.753 2.880 1.00 1.00 H new ATOM 373 N LYS A 26 -7.646 -6.426 4.675 1.00 1.00 N ATOM 374 CA LYS A 26 -8.836 -6.173 5.486 1.00 1.00 C ATOM 375 C LYS A 26 -9.455 -4.845 5.071 1.00 1.00 C ATOM 376 O LYS A 26 -8.809 -3.801 5.160 1.00 1.00 O ATOM 377 CB LYS A 26 -8.364 -6.143 6.949 1.00 1.00 C ATOM 378 CG LYS A 26 -9.445 -5.860 8.003 1.00 1.00 C ATOM 379 CD LYS A 26 -10.623 -6.843 8.007 1.00 1.00 C ATOM 380 CE LYS A 26 -10.155 -8.303 8.086 1.00 1.00 C ATOM 381 NZ LYS A 26 -11.286 -9.227 8.300 1.00 1.00 N ATOM 0 H LYS A 26 -7.133 -5.564 4.488 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.599 -6.940 5.353 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.903 -7.103 7.180 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.587 -5.385 7.043 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -8.980 -5.870 8.989 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.832 -4.854 7.843 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.274 -6.625 8.854 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.216 -6.701 7.104 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.636 -8.569 7.165 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.437 -8.412 8.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -11.071 -10.146 7.863 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -11.441 -9.356 9.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -12.145 -8.831 7.867 1.00 1.00 H new ATOM 395 N VAL A 27 -10.684 -4.889 4.568 1.00 1.00 N ATOM 396 CA VAL A 27 -11.427 -3.689 4.138 1.00 1.00 C ATOM 397 C VAL A 27 -11.881 -2.872 5.354 1.00 1.00 C ATOM 398 O VAL A 27 -12.553 -3.403 6.242 1.00 1.00 O ATOM 399 CB VAL A 27 -12.605 -4.069 3.213 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.459 -2.864 2.812 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.023 -4.673 1.931 1.00 1.00 C ATOM 0 H VAL A 27 -11.203 -5.758 4.443 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.760 -3.056 3.554 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.242 -4.766 3.758 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.270 -3.193 2.163 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.875 -2.399 3.706 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.840 -2.140 2.281 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.835 -4.951 1.259 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.382 -3.940 1.442 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.438 -5.559 2.179 1.00 1.00 H new ATOM 411 N ILE A 28 -11.537 -1.578 5.375 1.00 1.00 N ATOM 412 CA ILE A 28 -11.869 -0.628 6.460 1.00 1.00 C ATOM 413 C ILE A 28 -12.824 0.501 6.020 1.00 1.00 C ATOM 414 O ILE A 28 -13.380 1.200 6.868 1.00 1.00 O ATOM 415 CB ILE A 28 -10.615 -0.055 7.163 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.705 0.817 6.260 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.860 -1.174 7.903 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.566 0.085 5.545 1.00 1.00 C ATOM 0 H ILE A 28 -11.005 -1.145 4.620 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.409 -1.226 7.194 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.972 0.659 7.905 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.329 1.299 5.507 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.273 1.610 6.871 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -8.980 -0.757 8.393 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.514 -1.621 8.651 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.550 -1.937 7.189 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -7.998 0.795 4.944 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -7.908 -0.373 6.283 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.980 -0.689 4.898 1.00 1.00 H new ATOM 430 N THR A 29 -13.073 0.633 4.714 1.00 1.00 N ATOM 431 CA THR A 29 -14.112 1.494 4.116 1.00 1.00 C ATOM 432 C THR A 29 -14.696 0.722 2.939 1.00 1.00 C ATOM 433 O THR A 29 -13.938 0.239 2.100 1.00 1.00 O ATOM 434 CB THR A 29 -13.553 2.851 3.646 1.00 1.00 C ATOM 435 OG1 THR A 29 -12.985 3.550 4.732 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.629 3.758 3.044 1.00 1.00 C ATOM 0 H THR A 29 -12.537 0.124 4.011 1.00 1.00 H new ATOM 0 HA THR A 29 -14.871 1.727 4.863 1.00 1.00 H new ATOM 0 HB THR A 29 -12.810 2.619 2.883 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.237 4.098 4.413 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.178 4.699 2.731 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.079 3.266 2.181 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.398 3.955 3.791 1.00 1.00 H new ATOM 444 N ALA A 30 -16.021 0.558 2.898 1.00 1.00 N ATOM 445 CA ALA A 30 -16.714 -0.331 1.967 1.00 1.00 C ATOM 446 C ALA A 30 -16.393 -0.045 0.488 1.00 1.00 C ATOM 447 O ALA A 30 -16.294 1.110 0.068 1.00 1.00 O ATOM 448 CB ALA A 30 -18.220 -0.244 2.238 1.00 1.00 C ATOM 0 H ALA A 30 -16.655 1.052 3.527 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.356 -1.346 2.142 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.752 -0.902 1.551 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.423 -0.550 3.264 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.557 0.782 2.092 1.00 1.00 H new ATOM 454 N VAL A 31 -16.287 -1.111 -0.307 1.00 1.00 N ATOM 455 CA VAL A 31 -15.847 -1.099 -1.709 1.00 1.00 C ATOM 456 C VAL A 31 -16.980 -1.681 -2.566 1.00 1.00 C ATOM 457 O VAL A 31 -17.097 -2.904 -2.651 1.00 1.00 O ATOM 458 CB VAL A 31 -14.546 -1.915 -1.885 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.039 -1.822 -3.322 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.397 -1.473 -0.971 1.00 1.00 C ATOM 0 H VAL A 31 -16.515 -2.050 0.021 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.629 -0.078 -2.023 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.825 -2.934 -1.616 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.123 -2.404 -3.423 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.795 -2.216 -4.001 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.836 -0.780 -3.570 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.523 -2.096 -1.158 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.150 -0.431 -1.175 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.700 -1.577 0.071 1.00 1.00 H new ATOM 470 N PRO A 32 -17.879 -0.858 -3.138 1.00 1.00 N ATOM 471 CA PRO A 32 -19.016 -1.357 -3.909 1.00 1.00 C ATOM 472 C PRO A 32 -18.596 -1.929 -5.275 1.00 1.00 C ATOM 473 O PRO A 32 -17.459 -1.763 -5.723 1.00 1.00 O ATOM 474 CB PRO A 32 -19.979 -0.173 -4.028 1.00 1.00 C ATOM 475 CG PRO A 32 -19.030 1.011 -4.033 1.00 1.00 C ATOM 476 CD PRO A 32 -17.917 0.595 -3.071 1.00 1.00 C ATOM 0 HA PRO A 32 -19.495 -2.201 -3.412 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.574 -0.222 -4.940 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.678 -0.131 -3.193 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.642 1.207 -5.032 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.526 1.922 -3.699 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.961 1.028 -3.364 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.124 0.937 -2.057 1.00 1.00 H new ATOM 484 N VAL A 33 -19.553 -2.574 -5.953 1.00 1.00 N ATOM 485 CA VAL A 33 -19.342 -3.386 -7.172 1.00 1.00 C ATOM 486 C VAL A 33 -18.675 -2.658 -8.347 1.00 1.00 C ATOM 487 O VAL A 33 -18.124 -3.306 -9.233 1.00 1.00 O ATOM 488 CB VAL A 33 -20.660 -4.030 -7.661 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.421 -4.745 -6.536 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.615 -3.026 -8.321 1.00 1.00 C ATOM 0 H VAL A 33 -20.531 -2.548 -5.664 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.636 -4.150 -6.847 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.340 -4.758 -8.406 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.338 -5.179 -6.935 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.797 -5.536 -6.120 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.669 -4.029 -5.753 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.520 -3.542 -8.642 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.876 -2.247 -7.605 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.128 -2.576 -9.186 1.00 1.00 H new ATOM 500 N ASP A 34 -18.731 -1.325 -8.376 1.00 1.00 N ATOM 501 CA ASP A 34 -18.164 -0.466 -9.425 1.00 1.00 C ATOM 502 C ASP A 34 -17.623 0.859 -8.834 1.00 1.00 C ATOM 503 O ASP A 34 -17.675 1.912 -9.475 1.00 1.00 O ATOM 504 CB ASP A 34 -19.238 -0.256 -10.512 1.00 1.00 C ATOM 505 CG ASP A 34 -18.702 0.430 -11.777 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.629 0.005 -12.271 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.383 1.357 -12.278 1.00 1.00 O ATOM 0 H ASP A 34 -19.191 -0.789 -7.640 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.301 -0.946 -9.885 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.662 -1.222 -10.784 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -20.049 0.343 -10.099 1.00 1.00 H new ATOM 512 N GLY A 35 -17.145 0.819 -7.584 1.00 1.00 N ATOM 513 CA GLY A 35 -16.710 1.997 -6.817 1.00 1.00 C ATOM 514 C GLY A 35 -15.462 1.767 -5.958 1.00 1.00 C ATOM 515 O GLY A 35 -14.720 0.802 -6.157 1.00 1.00 O ATOM 0 H GLY A 35 -17.047 -0.053 -7.064 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.513 2.815 -7.510 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.527 2.317 -6.171 1.00 1.00 H new ATOM 519 N PHE A 36 -15.242 2.663 -4.990 1.00 1.00 N ATOM 520 CA PHE A 36 -14.006 2.764 -4.205 1.00 1.00 C ATOM 521 C PHE A 36 -14.263 2.785 -2.689 1.00 1.00 C ATOM 522 O PHE A 36 -15.241 3.364 -2.212 1.00 1.00 O ATOM 523 CB PHE A 36 -13.227 4.040 -4.582 1.00 1.00 C ATOM 524 CG PHE A 36 -12.928 4.261 -6.056 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.926 4.760 -6.916 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.636 4.020 -6.561 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.648 4.974 -8.277 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.354 4.243 -7.922 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.362 4.713 -8.782 1.00 1.00 C ATOM 0 H PHE A 36 -15.939 3.358 -4.723 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.425 1.873 -4.443 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.791 4.900 -4.219 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.280 4.029 -4.043 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.910 4.979 -6.528 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.859 3.663 -5.902 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.423 5.339 -8.935 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.363 4.053 -8.306 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.149 4.873 -9.829 1.00 1.00 H new ATOM 539 N GLY A 37 -13.334 2.187 -1.943 1.00 1.00 N ATOM 540 CA GLY A 37 -13.226 2.224 -0.481 1.00 1.00 C ATOM 541 C GLY A 37 -11.759 2.128 -0.051 1.00 1.00 C ATOM 542 O GLY A 37 -10.887 2.699 -0.708 1.00 1.00 O ATOM 0 H GLY A 37 -12.592 1.630 -2.367 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.663 3.147 -0.101 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.793 1.401 -0.047 1.00 1.00 H new ATOM 546 N GLU A 38 -11.463 1.416 1.039 1.00 1.00 N ATOM 547 CA GLU A 38 -10.109 1.309 1.611 1.00 1.00 C ATOM 548 C GLU A 38 -9.807 -0.086 2.170 1.00 1.00 C ATOM 549 O GLU A 38 -10.685 -0.754 2.718 1.00 1.00 O ATOM 550 CB GLU A 38 -9.916 2.311 2.763 1.00 1.00 C ATOM 551 CG GLU A 38 -9.886 3.774 2.328 1.00 1.00 C ATOM 552 CD GLU A 38 -9.674 4.707 3.526 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.528 4.766 4.032 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.659 5.366 3.936 1.00 1.00 O ATOM 0 H GLU A 38 -12.163 0.888 1.560 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.430 1.521 0.785 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.721 2.176 3.485 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -8.984 2.079 3.278 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.087 3.923 1.602 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.821 4.026 1.829 1.00 1.00 H new ATOM 561 N VAL A 39 -8.532 -0.477 2.116 1.00 1.00 N ATOM 562 CA VAL A 39 -7.989 -1.757 2.591 1.00 1.00 C ATOM 563 C VAL A 39 -6.657 -1.545 3.328 1.00 1.00 C ATOM 564 O VAL A 39 -5.915 -0.613 3.030 1.00 1.00 O ATOM 565 CB VAL A 39 -7.849 -2.727 1.397 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.663 -2.398 0.483 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.738 -4.187 1.843 1.00 1.00 C ATOM 0 H VAL A 39 -7.809 0.122 1.718 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.675 -2.202 3.311 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.768 -2.592 0.827 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.623 -3.118 -0.335 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.784 -1.394 0.077 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.737 -2.448 1.056 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.642 -4.829 0.967 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.861 -4.307 2.479 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.632 -4.466 2.401 1.00 1.00 H new ATOM 577 N VAL A 40 -6.335 -2.425 4.274 1.00 1.00 N ATOM 578 CA VAL A 40 -5.027 -2.531 4.953 1.00 1.00 C ATOM 579 C VAL A 40 -4.555 -3.986 4.902 1.00 1.00 C ATOM 580 O VAL A 40 -5.378 -4.894 4.955 1.00 1.00 O ATOM 581 CB VAL A 40 -5.100 -1.991 6.402 1.00 1.00 C ATOM 582 CG1 VAL A 40 -6.184 -2.655 7.259 1.00 1.00 C ATOM 583 CG2 VAL A 40 -3.767 -2.077 7.138 1.00 1.00 C ATOM 0 H VAL A 40 -7.003 -3.119 4.610 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.296 -1.910 4.434 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.368 -0.943 6.270 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -6.172 -2.223 8.260 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -7.160 -2.489 6.804 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.991 -3.726 7.324 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -3.883 -1.684 8.148 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -3.446 -3.117 7.189 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -3.018 -1.492 6.604 1.00 1.00 H new ATOM 593 N ILE A 41 -3.250 -4.235 4.782 1.00 1.00 N ATOM 594 CA ILE A 41 -2.695 -5.605 4.758 1.00 1.00 C ATOM 595 C ILE A 41 -2.795 -6.226 6.159 1.00 1.00 C ATOM 596 O ILE A 41 -2.710 -5.515 7.155 1.00 1.00 O ATOM 597 CB ILE A 41 -1.254 -5.572 4.204 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.240 -5.124 2.728 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.484 -6.898 4.349 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.037 -5.985 1.738 1.00 1.00 C ATOM 0 H ILE A 41 -2.545 -3.503 4.699 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.273 -6.243 4.089 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.732 -4.843 4.824 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.624 -4.105 2.678 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.203 -5.091 2.392 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.518 -6.784 3.934 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.412 -7.163 5.404 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.012 -7.686 3.812 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.947 -5.565 0.736 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.644 -7.002 1.742 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.086 -6.000 2.032 1.00 1.00 H new ATOM 612 N GLU A 42 -2.966 -7.551 6.237 1.00 1.00 N ATOM 613 CA GLU A 42 -3.307 -8.306 7.466 1.00 1.00 C ATOM 614 C GLU A 42 -2.464 -8.039 8.734 1.00 1.00 C ATOM 615 O GLU A 42 -2.941 -8.296 9.841 1.00 1.00 O ATOM 616 CB GLU A 42 -3.353 -9.816 7.159 1.00 1.00 C ATOM 617 CG GLU A 42 -4.680 -10.269 6.533 1.00 1.00 C ATOM 618 CD GLU A 42 -5.827 -10.294 7.553 1.00 1.00 C ATOM 619 OE1 GLU A 42 -5.992 -11.338 8.228 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.537 -9.267 7.664 1.00 1.00 O ATOM 0 H GLU A 42 -2.869 -8.156 5.421 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.287 -7.915 7.740 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.536 -10.067 6.483 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.186 -10.372 8.081 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -4.940 -9.599 5.714 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.556 -11.264 6.104 1.00 1.00 H new ATOM 681 N ILE A 48 -0.043 -0.263 6.608 1.00 1.00 N ATOM 682 CA ILE A 48 -0.587 1.057 6.240 1.00 1.00 C ATOM 683 C ILE A 48 -1.803 0.868 5.322 1.00 1.00 C ATOM 684 O ILE A 48 -1.761 0.076 4.378 1.00 1.00 O ATOM 685 CB ILE A 48 0.518 1.897 5.549 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.752 2.158 6.446 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.024 3.232 5.007 1.00 1.00 C ATOM 688 CD1 ILE A 48 1.502 3.020 7.692 1.00 1.00 C ATOM 0 HA ILE A 48 -0.912 1.592 7.132 1.00 1.00 H new ATOM 0 HB ILE A 48 0.850 1.283 4.712 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.154 1.197 6.767 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.521 2.640 5.842 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.785 3.787 4.532 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.809 3.036 4.276 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.433 3.819 5.829 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.433 3.138 8.246 1.00 1.00 H new ATOM 0 HD12 ILE A 48 1.134 4.000 7.389 1.00 1.00 H new ATOM 0 HD13 ILE A 48 0.761 2.535 8.327 1.00 1.00 H new ATOM 700 N SER A 49 -2.894 1.583 5.607 1.00 1.00 N ATOM 701 CA SER A 49 -4.118 1.587 4.793 1.00 1.00 C ATOM 702 C SER A 49 -3.940 2.307 3.446 1.00 1.00 C ATOM 703 O SER A 49 -3.154 3.249 3.314 1.00 1.00 O ATOM 704 CB SER A 49 -5.282 2.208 5.578 1.00 1.00 C ATOM 705 OG SER A 49 -4.925 3.472 6.119 1.00 1.00 O ATOM 0 H SER A 49 -2.955 2.188 6.426 1.00 1.00 H new ATOM 0 HA SER A 49 -4.346 0.545 4.567 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.146 2.322 4.923 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.579 1.536 6.383 1.00 1.00 H new ATOM 0 HG SER A 49 -5.686 3.844 6.612 1.00 1.00 H new ATOM 711 N LYS A 50 -4.693 1.857 2.438 1.00 1.00 N ATOM 712 CA LYS A 50 -4.638 2.287 1.030 1.00 1.00 C ATOM 713 C LYS A 50 -6.054 2.342 0.443 1.00 1.00 C ATOM 714 O LYS A 50 -6.956 1.662 0.940 1.00 1.00 O ATOM 715 CB LYS A 50 -3.805 1.274 0.212 1.00 1.00 C ATOM 716 CG LYS A 50 -2.414 0.898 0.754 1.00 1.00 C ATOM 717 CD LYS A 50 -1.380 2.030 0.657 1.00 1.00 C ATOM 718 CE LYS A 50 -0.126 1.706 1.480 1.00 1.00 C ATOM 719 NZ LYS A 50 0.574 0.498 0.992 1.00 1.00 N ATOM 0 H LYS A 50 -5.402 1.139 2.588 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.181 3.275 0.982 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.388 0.358 0.117 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.677 1.677 -0.793 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.511 0.596 1.797 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.043 0.033 0.205 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.104 2.186 -0.386 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.821 2.961 1.012 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.556 2.556 1.447 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.407 1.563 2.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.394 0.302 1.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -0.076 -0.313 1.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.897 0.655 0.016 1.00 1.00 H new ATOM 733 N SER A 51 -6.255 3.099 -0.633 1.00 1.00 N ATOM 734 CA SER A 51 -7.505 3.069 -1.413 1.00 1.00 C ATOM 735 C SER A 51 -7.693 1.713 -2.102 1.00 1.00 C ATOM 736 O SER A 51 -6.716 1.047 -2.453 1.00 1.00 O ATOM 737 CB SER A 51 -7.503 4.181 -2.468 1.00 1.00 C ATOM 738 OG SER A 51 -7.395 5.451 -1.843 1.00 1.00 O ATOM 0 H SER A 51 -5.560 3.753 -0.995 1.00 1.00 H new ATOM 0 HA SER A 51 -8.332 3.227 -0.721 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.672 4.036 -3.158 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.419 4.135 -3.057 1.00 1.00 H new ATOM 0 HG SER A 51 -7.393 6.153 -2.527 1.00 1.00 H new ATOM 744 N ALA A 52 -8.946 1.307 -2.321 1.00 1.00 N ATOM 745 CA ALA A 52 -9.278 -0.013 -2.863 1.00 1.00 C ATOM 746 C ALA A 52 -10.489 -0.009 -3.814 1.00 1.00 C ATOM 747 O ALA A 52 -11.448 0.735 -3.603 1.00 1.00 O ATOM 748 CB ALA A 52 -9.520 -0.966 -1.686 1.00 1.00 C ATOM 0 H ALA A 52 -9.762 1.887 -2.127 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.437 -0.344 -3.472 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.769 -1.957 -2.065 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.619 -1.027 -1.076 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.344 -0.592 -1.079 1.00 1.00 H new ATOM 754 N VAL A 53 -10.463 -0.901 -4.811 1.00 1.00 N ATOM 755 CA VAL A 53 -11.567 -1.233 -5.738 1.00 1.00 C ATOM 756 C VAL A 53 -11.792 -2.750 -5.801 1.00 1.00 C ATOM 757 O VAL A 53 -10.869 -3.529 -5.544 1.00 1.00 O ATOM 758 CB VAL A 53 -11.327 -0.687 -7.163 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.241 0.839 -7.164 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.071 -1.246 -7.849 1.00 1.00 C ATOM 0 H VAL A 53 -9.624 -1.446 -5.010 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.459 -0.748 -5.340 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.191 -1.025 -7.735 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -11.072 1.193 -8.181 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.174 1.256 -6.785 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.416 1.157 -6.527 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.976 -0.812 -8.844 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.191 -0.994 -7.258 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.154 -2.330 -7.932 1.00 1.00 H new ATOM 770 N SER A 54 -13.000 -3.195 -6.162 1.00 1.00 N ATOM 771 CA SER A 54 -13.270 -4.625 -6.376 1.00 1.00 C ATOM 772 C SER A 54 -12.769 -5.081 -7.750 1.00 1.00 C ATOM 773 O SER A 54 -13.179 -4.548 -8.784 1.00 1.00 O ATOM 774 CB SER A 54 -14.759 -4.954 -6.240 1.00 1.00 C ATOM 775 OG SER A 54 -14.914 -6.363 -6.345 1.00 1.00 O ATOM 0 H SER A 54 -13.806 -2.589 -6.312 1.00 1.00 H new ATOM 0 HA SER A 54 -12.728 -5.164 -5.599 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.141 -4.600 -5.282 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.332 -4.450 -7.018 1.00 1.00 H new ATOM 0 HG SER A 54 -15.007 -6.750 -5.449 1.00 1.00 H new ATOM 781 N PHE A 55 -11.906 -6.099 -7.767 1.00 1.00 N ATOM 782 CA PHE A 55 -11.470 -6.798 -8.984 1.00 1.00 C ATOM 783 C PHE A 55 -12.518 -7.802 -9.513 1.00 1.00 C ATOM 784 O PHE A 55 -12.403 -8.294 -10.636 1.00 1.00 O ATOM 785 CB PHE A 55 -10.154 -7.518 -8.666 1.00 1.00 C ATOM 786 CG PHE A 55 -9.382 -8.012 -9.880 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.632 -7.106 -10.656 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.383 -9.381 -10.217 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.882 -7.567 -11.754 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.633 -9.840 -11.314 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.879 -8.933 -12.081 1.00 1.00 C ATOM 0 H PHE A 55 -11.480 -6.471 -6.918 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.336 -6.062 -9.777 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.515 -6.841 -8.099 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.370 -8.369 -8.020 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.633 -6.055 -10.407 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.962 -10.079 -9.631 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.308 -6.870 -12.346 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.636 -10.890 -11.568 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.299 -9.287 -12.920 1.00 1.00 H new ATOM 801 N ASP A 56 -13.552 -8.102 -8.718 1.00 1.00 N ATOM 802 CA ASP A 56 -14.525 -9.180 -8.954 1.00 1.00 C ATOM 803 C ASP A 56 -15.988 -8.674 -8.939 1.00 1.00 C ATOM 804 O ASP A 56 -16.927 -9.460 -8.802 1.00 1.00 O ATOM 805 CB ASP A 56 -14.244 -10.288 -7.922 1.00 1.00 C ATOM 806 CG ASP A 56 -15.025 -11.583 -8.188 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.889 -12.129 -9.309 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.736 -12.044 -7.264 1.00 1.00 O ATOM 0 H ASP A 56 -13.743 -7.583 -7.861 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.404 -9.586 -9.958 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.177 -10.510 -7.920 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.494 -9.919 -6.927 1.00 1.00 H new ATOM 813 N ASN A 57 -16.180 -7.356 -9.074 1.00 1.00 N ATOM 814 CA ASN A 57 -17.464 -6.644 -9.003 1.00 1.00 C ATOM 815 C ASN A 57 -18.342 -7.053 -7.797 1.00 1.00 C ATOM 816 O ASN A 57 -19.546 -7.282 -7.926 1.00 1.00 O ATOM 817 CB ASN A 57 -18.191 -6.725 -10.362 1.00 1.00 C ATOM 818 CG ASN A 57 -17.420 -6.072 -11.496 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.851 -6.726 -12.359 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.384 -4.759 -11.538 1.00 1.00 N ATOM 0 H ASN A 57 -15.400 -6.721 -9.245 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.248 -5.594 -8.807 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.370 -7.772 -10.609 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.167 -6.247 -10.273 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.882 -4.286 -12.290 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.858 -4.213 -10.819 1.00 1.00 H new ATOM 827 N GLN A 58 -17.726 -7.150 -6.617 1.00 1.00 N ATOM 828 CA GLN A 58 -18.386 -7.453 -5.344 1.00 1.00 C ATOM 829 C GLN A 58 -18.602 -6.183 -4.508 1.00 1.00 C ATOM 830 O GLN A 58 -17.872 -5.203 -4.650 1.00 1.00 O ATOM 831 CB GLN A 58 -17.531 -8.451 -4.544 1.00 1.00 C ATOM 832 CG GLN A 58 -17.285 -9.787 -5.263 1.00 1.00 C ATOM 833 CD GLN A 58 -18.574 -10.490 -5.685 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.389 -10.897 -4.867 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.823 -10.644 -6.968 1.00 1.00 N ATOM 0 H GLN A 58 -16.720 -7.015 -6.517 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.361 -7.887 -5.565 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.569 -7.990 -4.319 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.020 -8.649 -3.590 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.670 -9.609 -6.145 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.717 -10.446 -4.606 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.153 -10.310 -7.661 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.686 -11.097 -7.269 1.00 1.00 H new ATOM 844 N GLN A 59 -19.587 -6.214 -3.606 1.00 1.00 N ATOM 845 CA GLN A 59 -19.858 -5.145 -2.640 1.00 1.00 C ATOM 846 C GLN A 59 -19.191 -5.497 -1.299 1.00 1.00 C ATOM 847 O GLN A 59 -19.787 -6.135 -0.429 1.00 1.00 O ATOM 848 CB GLN A 59 -21.376 -4.903 -2.534 1.00 1.00 C ATOM 849 CG GLN A 59 -21.702 -3.548 -1.886 1.00 1.00 C ATOM 850 CD GLN A 59 -23.185 -3.440 -1.530 1.00 1.00 C ATOM 851 OE1 GLN A 59 -24.022 -3.066 -2.341 1.00 1.00 O ATOM 852 NE2 GLN A 59 -23.569 -3.762 -0.312 1.00 1.00 N ATOM 0 H GLN A 59 -20.232 -7.000 -3.525 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.426 -4.201 -2.972 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.820 -4.945 -3.529 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.830 -5.703 -1.949 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.100 -3.420 -0.986 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.431 -2.742 -2.568 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.882 -4.075 0.373 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -24.554 -3.698 -0.054 1.00 1.00 H new ATOM 861 N ILE A 60 -17.907 -5.155 -1.172 1.00 1.00 N ATOM 862 CA ILE A 60 -17.030 -5.577 -0.075 1.00 1.00 C ATOM 863 C ILE A 60 -17.210 -4.632 1.116 1.00 1.00 C ATOM 864 O ILE A 60 -16.621 -3.553 1.166 1.00 1.00 O ATOM 865 CB ILE A 60 -15.550 -5.696 -0.519 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.362 -6.210 -1.969 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.868 -6.634 0.485 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.899 -6.290 -2.426 1.00 1.00 C ATOM 0 H ILE A 60 -17.433 -4.558 -1.850 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.320 -6.581 0.236 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.103 -4.702 -0.525 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.811 -7.200 -2.052 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.907 -5.554 -2.648 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.818 -6.753 0.217 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.941 -6.210 1.487 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.359 -7.607 0.466 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.858 -6.659 -3.451 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.448 -5.299 -2.378 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.351 -6.970 -1.774 1.00 1.00 H new ATOM 880 N SER A 61 -18.078 -5.010 2.053 1.00 1.00 N ATOM 881 CA SER A 61 -18.325 -4.269 3.298 1.00 1.00 C ATOM 882 C SER A 61 -17.101 -4.227 4.230 1.00 1.00 C ATOM 883 O SER A 61 -16.155 -5.008 4.094 1.00 1.00 O ATOM 884 CB SER A 61 -19.512 -4.898 4.044 1.00 1.00 C ATOM 885 OG SER A 61 -20.677 -4.876 3.231 1.00 1.00 O ATOM 0 H SER A 61 -18.642 -5.856 1.971 1.00 1.00 H new ATOM 0 HA SER A 61 -18.547 -3.240 3.015 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.273 -5.925 4.320 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.697 -4.354 4.970 1.00 1.00 H new ATOM 0 HG SER A 61 -21.424 -5.281 3.719 1.00 1.00 H new ATOM 891 N TYR A 62 -17.150 -3.332 5.222 1.00 1.00 N ATOM 892 CA TYR A 62 -16.198 -3.262 6.339 1.00 1.00 C ATOM 893 C TYR A 62 -15.994 -4.620 7.041 1.00 1.00 C ATOM 894 O TYR A 62 -16.948 -5.376 7.249 1.00 1.00 O ATOM 895 CB TYR A 62 -16.726 -2.223 7.346 1.00 1.00 C ATOM 896 CG TYR A 62 -15.969 -2.167 8.664 1.00 1.00 C ATOM 897 CD1 TYR A 62 -14.845 -1.333 8.791 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.375 -2.964 9.754 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.111 -1.301 9.994 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.646 -2.938 10.958 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.510 -2.109 11.082 1.00 1.00 C ATOM 902 OH TYR A 62 -13.811 -2.090 12.251 1.00 1.00 O ATOM 0 H TYR A 62 -17.874 -2.615 5.273 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.224 -2.974 5.943 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.691 -1.238 6.881 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.774 -2.440 7.554 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -14.541 -0.712 7.961 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.247 -3.595 9.665 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.246 -0.661 10.084 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -15.957 -3.554 11.789 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.226 -2.706 12.891 1.00 1.00 H new ATOM 912 N GLY A 63 -14.756 -4.903 7.458 1.00 1.00 N ATOM 913 CA GLY A 63 -14.438 -6.032 8.336 1.00 1.00 C ATOM 914 C GLY A 63 -14.402 -7.418 7.681 1.00 1.00 C ATOM 915 O GLY A 63 -14.717 -8.400 8.354 1.00 1.00 O ATOM 0 H GLY A 63 -13.941 -4.350 7.193 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.466 -5.845 8.794 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.171 -6.054 9.142 1.00 1.00 H new ATOM 919 N THR A 64 -14.002 -7.531 6.406 1.00 1.00 N ATOM 920 CA THR A 64 -13.805 -8.833 5.732 1.00 1.00 C ATOM 921 C THR A 64 -12.404 -8.982 5.141 1.00 1.00 C ATOM 922 O THR A 64 -11.732 -7.989 4.846 1.00 1.00 O ATOM 923 CB THR A 64 -14.887 -9.105 4.677 1.00 1.00 C ATOM 924 OG1 THR A 64 -14.953 -10.498 4.458 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.637 -8.435 3.331 1.00 1.00 C ATOM 0 H THR A 64 -13.805 -6.727 5.810 1.00 1.00 H new ATOM 0 HA THR A 64 -13.904 -9.592 6.508 1.00 1.00 H new ATOM 0 HB THR A 64 -15.813 -8.688 5.073 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.641 -10.691 3.787 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.449 -8.680 2.646 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.589 -7.354 3.466 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.694 -8.791 2.917 1.00 1.00 H new ATOM 933 N THR A 65 -11.961 -10.230 4.993 1.00 1.00 N ATOM 934 CA THR A 65 -10.606 -10.580 4.547 1.00 1.00 C ATOM 935 C THR A 65 -10.580 -10.750 3.031 1.00 1.00 C ATOM 936 O THR A 65 -11.345 -11.527 2.452 1.00 1.00 O ATOM 937 CB THR A 65 -10.081 -11.847 5.240 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.182 -11.696 6.641 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.609 -12.111 4.914 1.00 1.00 C ATOM 0 H THR A 65 -12.544 -11.045 5.183 1.00 1.00 H new ATOM 0 HA THR A 65 -9.944 -9.761 4.828 1.00 1.00 H new ATOM 0 HB THR A 65 -10.684 -12.681 4.880 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.849 -12.505 7.082 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.280 -13.016 5.425 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.492 -12.239 3.838 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.005 -11.267 5.247 1.00 1.00 H new ATOM 947 N VAL A 66 -9.663 -10.035 2.387 1.00 1.00 N ATOM 948 CA VAL A 66 -9.578 -9.867 0.931 1.00 1.00 C ATOM 949 C VAL A 66 -8.172 -10.189 0.433 1.00 1.00 C ATOM 950 O VAL A 66 -7.196 -9.905 1.113 1.00 1.00 O ATOM 951 CB VAL A 66 -9.967 -8.429 0.529 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.452 -8.140 0.763 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.184 -7.336 1.273 1.00 1.00 C ATOM 0 H VAL A 66 -8.925 -9.534 2.882 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.278 -10.562 0.467 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.721 -8.391 -0.532 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.675 -7.116 0.464 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.054 -8.829 0.172 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.686 -8.269 1.820 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.517 -6.355 0.933 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.360 -7.428 2.345 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.119 -7.449 1.069 1.00 1.00 H new ATOM 963 N LEU A 67 -8.045 -10.768 -0.758 1.00 1.00 N ATOM 964 CA LEU A 67 -6.761 -10.935 -1.442 1.00 1.00 C ATOM 965 C LEU A 67 -6.523 -9.726 -2.352 1.00 1.00 C ATOM 966 O LEU A 67 -7.384 -9.402 -3.174 1.00 1.00 O ATOM 967 CB LEU A 67 -6.808 -12.255 -2.239 1.00 1.00 C ATOM 968 CG LEU A 67 -5.545 -12.576 -3.060 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.336 -12.858 -2.168 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.793 -13.815 -3.922 1.00 1.00 C ATOM 0 H LEU A 67 -8.837 -11.139 -1.283 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.934 -10.987 -0.734 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.986 -13.074 -1.542 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.662 -12.221 -2.916 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.332 -11.702 -3.675 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.469 -13.079 -2.790 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.127 -11.984 -1.552 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.549 -13.712 -1.526 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.898 -14.040 -4.502 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.032 -14.663 -3.280 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.626 -13.626 -4.599 1.00 1.00 H new ATOM 982 N VAL A 68 -5.372 -9.059 -2.221 1.00 1.00 N ATOM 983 CA VAL A 68 -4.959 -8.030 -3.191 1.00 1.00 C ATOM 984 C VAL A 68 -4.477 -8.743 -4.454 1.00 1.00 C ATOM 985 O VAL A 68 -3.522 -9.518 -4.403 1.00 1.00 O ATOM 986 CB VAL A 68 -3.859 -7.091 -2.654 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.643 -5.916 -3.617 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.213 -6.524 -1.273 1.00 1.00 C ATOM 0 H VAL A 68 -4.711 -9.209 -1.459 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.818 -7.391 -3.398 1.00 1.00 H new ATOM 0 HB VAL A 68 -2.950 -7.687 -2.569 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.864 -5.262 -3.224 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.340 -6.296 -4.593 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.571 -5.354 -3.719 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.412 -5.868 -0.933 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.142 -5.957 -1.339 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.337 -7.343 -0.564 1.00 1.00 H new ATOM 998 N VAL A 69 -5.147 -8.503 -5.582 1.00 1.00 N ATOM 999 CA VAL A 69 -4.942 -9.230 -6.850 1.00 1.00 C ATOM 1000 C VAL A 69 -4.357 -8.354 -7.966 1.00 1.00 C ATOM 1001 O VAL A 69 -3.735 -8.876 -8.892 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.232 -9.931 -7.317 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.514 -11.171 -6.463 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.469 -9.030 -7.264 1.00 1.00 C ATOM 0 H VAL A 69 -5.866 -7.782 -5.648 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.195 -9.994 -6.635 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.052 -10.203 -8.357 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.429 -11.651 -6.810 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.682 -11.870 -6.550 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.632 -10.876 -5.420 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.340 -9.588 -7.606 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.632 -8.695 -6.239 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.316 -8.164 -7.908 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.479 -7.028 -7.863 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.787 -6.053 -8.721 1.00 1.00 C ATOM 1016 C ASP A 70 -3.534 -4.757 -7.928 1.00 1.00 C ATOM 1017 O ASP A 70 -4.131 -4.554 -6.870 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.591 -5.786 -10.009 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.684 -5.501 -11.207 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.240 -4.335 -11.336 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.405 -6.450 -11.975 1.00 1.00 O ATOM 0 H ASP A 70 -5.077 -6.588 -7.163 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.824 -6.463 -9.026 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.220 -6.649 -10.228 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.258 -4.938 -9.850 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.647 -3.880 -8.402 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.239 -2.652 -7.699 1.00 1.00 C ATOM 1028 C ILE A 71 -1.949 -1.546 -8.726 1.00 1.00 C ATOM 1029 O ILE A 71 -1.236 -1.767 -9.708 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.005 -2.909 -6.790 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.230 -4.093 -5.818 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.695 -1.645 -5.974 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.104 -4.374 -4.820 1.00 1.00 C ATOM 0 H ILE A 71 -2.181 -4.001 -9.301 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.054 -2.329 -7.051 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.168 -3.163 -7.441 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.146 -3.906 -5.257 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.396 -4.994 -6.409 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.171 -1.826 -5.337 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.480 -0.818 -6.651 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.555 -1.392 -5.354 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.376 -5.224 -4.194 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.814 -4.602 -5.362 1.00 1.00 H new ATOM 0 HD13 ILE A 71 0.053 -3.497 -4.192 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.485 -0.347 -8.477 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.435 0.815 -9.368 1.00 1.00 C ATOM 1047 C ASN A 72 -2.083 2.098 -8.583 1.00 1.00 C ATOM 1048 O ASN A 72 -2.965 2.867 -8.193 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.775 0.891 -10.129 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.769 1.928 -11.242 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.677 1.614 -12.420 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.855 3.194 -10.908 1.00 1.00 N ATOM 0 H ASN A 72 -2.987 -0.152 -7.611 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.638 0.713 -10.104 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -4.002 -0.087 -10.553 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.573 1.126 -9.425 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.845 3.914 -11.631 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.932 3.458 -9.926 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.784 2.323 -8.349 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.200 3.556 -7.784 1.00 1.00 C ATOM 1061 C ASN A 73 -0.872 4.086 -6.487 1.00 1.00 C ATOM 1062 O ASN A 73 -1.017 5.295 -6.293 1.00 1.00 O ATOM 1063 CB ASN A 73 -0.112 4.598 -8.922 1.00 1.00 C ATOM 1064 CG ASN A 73 0.797 5.778 -8.599 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.825 5.654 -7.945 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.463 6.962 -9.063 1.00 1.00 N ATOM 0 H ASN A 73 -0.074 1.620 -8.557 1.00 1.00 H new ATOM 0 HA ASN A 73 0.799 3.322 -7.416 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.250 4.107 -9.825 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -1.113 4.970 -9.141 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.059 7.769 -8.877 1.00 1.00 H new ATOM 0 HD22 ASN A 73 -0.392 7.073 -9.609 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.327 3.177 -5.615 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.005 3.488 -4.343 1.00 1.00 C ATOM 1075 C GLY A 74 -3.479 3.064 -4.294 1.00 1.00 C ATOM 1076 O GLY A 74 -4.060 3.000 -3.211 1.00 1.00 O ATOM 0 H GLY A 74 -1.232 2.174 -5.777 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.470 2.997 -3.530 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -1.941 4.561 -4.164 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.074 2.735 -5.448 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.405 2.120 -5.573 1.00 1.00 C ATOM 1082 C VAL A 75 -5.222 0.620 -5.799 1.00 1.00 C ATOM 1083 O VAL A 75 -4.826 0.177 -6.877 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.233 2.758 -6.707 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.660 2.193 -6.714 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.335 4.281 -6.551 1.00 1.00 C ATOM 0 H VAL A 75 -3.628 2.894 -6.352 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.966 2.293 -4.654 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.719 2.522 -7.639 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.230 2.654 -7.520 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.623 1.114 -6.866 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.141 2.409 -5.760 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.926 4.692 -7.370 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.816 4.518 -5.602 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.336 4.716 -6.571 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.445 -0.171 -4.755 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.363 -1.629 -4.796 1.00 1.00 C ATOM 1098 C LEU A 76 -6.642 -2.207 -5.421 1.00 1.00 C ATOM 1099 O LEU A 76 -7.737 -1.689 -5.213 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.150 -2.152 -3.360 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.689 -2.074 -2.864 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.094 -0.665 -2.873 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.604 -2.596 -1.431 1.00 1.00 C ATOM 0 H LEU A 76 -5.694 0.191 -3.834 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.523 -1.946 -5.414 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.783 -1.581 -2.681 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.483 -3.189 -3.310 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.115 -2.680 -3.565 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.067 -0.702 -2.510 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.106 -0.271 -3.889 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.684 -0.017 -2.226 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.572 -2.540 -1.084 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.238 -1.989 -0.785 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.941 -3.632 -1.401 1.00 1.00 H new ATOM 1115 N SER A 77 -6.521 -3.319 -6.139 1.00 1.00 N ATOM 1116 CA SER A 77 -7.653 -4.099 -6.649 1.00 1.00 C ATOM 1117 C SER A 77 -7.726 -5.395 -5.859 1.00 1.00 C ATOM 1118 O SER A 77 -6.754 -6.153 -5.813 1.00 1.00 O ATOM 1119 CB SER A 77 -7.500 -4.414 -8.135 1.00 1.00 C ATOM 1120 OG SER A 77 -7.330 -3.235 -8.903 1.00 1.00 O ATOM 0 H SER A 77 -5.615 -3.715 -6.390 1.00 1.00 H new ATOM 0 HA SER A 77 -8.566 -3.515 -6.532 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.643 -5.071 -8.282 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.380 -4.954 -8.486 1.00 1.00 H new ATOM 0 HG SER A 77 -7.233 -3.472 -9.849 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.865 -5.646 -5.214 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.009 -6.735 -4.236 1.00 1.00 C ATOM 1128 C VAL A 78 -10.269 -7.569 -4.481 1.00 1.00 C ATOM 1129 O VAL A 78 -11.196 -7.140 -5.169 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.941 -6.198 -2.784 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.793 -5.204 -2.559 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.225 -5.502 -2.324 1.00 1.00 C ATOM 0 H VAL A 78 -9.717 -5.102 -5.352 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.163 -7.408 -4.375 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.780 -7.102 -2.197 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.802 -4.867 -1.523 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.842 -5.692 -2.774 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.919 -4.347 -3.221 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.102 -5.153 -1.299 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.431 -4.652 -2.975 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.057 -6.205 -2.371 1.00 1.00 H new ATOM 1142 N THR A 79 -10.314 -8.765 -3.899 1.00 1.00 N ATOM 1143 CA THR A 79 -11.472 -9.675 -3.949 1.00 1.00 C ATOM 1144 C THR A 79 -11.606 -10.433 -2.618 1.00 1.00 C ATOM 1145 O THR A 79 -10.578 -10.769 -2.023 1.00 1.00 O ATOM 1146 CB THR A 79 -11.339 -10.634 -5.150 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.438 -11.513 -5.194 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.073 -11.496 -5.139 1.00 1.00 C ATOM 0 H THR A 79 -9.532 -9.144 -3.365 1.00 1.00 H new ATOM 0 HA THR A 79 -12.385 -9.097 -4.090 1.00 1.00 H new ATOM 0 HB THR A 79 -11.293 -9.981 -6.021 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.344 -12.116 -5.961 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.063 -12.139 -6.019 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.194 -10.852 -5.150 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.060 -12.112 -4.240 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.821 -10.675 -2.082 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.011 -11.336 -0.790 1.00 1.00 C ATOM 1158 C PRO A 80 -12.653 -12.830 -0.835 1.00 1.00 C ATOM 1159 O PRO A 80 -13.482 -13.690 -1.141 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.457 -11.054 -0.387 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.175 -10.908 -1.729 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.113 -10.259 -2.619 1.00 1.00 C ATOM 0 HA PRO A 80 -12.330 -10.944 -0.034 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.875 -11.867 0.206 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.538 -10.148 0.213 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.496 -11.873 -2.122 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.066 -10.286 -1.644 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.225 -10.579 -3.655 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.207 -9.173 -2.609 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.394 -13.135 -0.513 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.888 -14.503 -0.365 1.00 1.00 C ATOM 1172 C HIS A 81 -11.543 -15.213 0.840 1.00 1.00 C ATOM 1173 O HIS A 81 -11.800 -16.416 0.784 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.356 -14.444 -0.234 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.632 -15.778 -0.253 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.149 -17.019 0.049 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.311 -15.975 -0.563 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.176 -17.935 -0.076 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.028 -17.343 -0.449 1.00 1.00 N ATOM 0 H HIS A 81 -10.683 -12.424 -0.344 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.148 -15.092 -1.245 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -8.966 -13.830 -1.046 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.111 -13.934 0.697 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.113 -17.210 0.323 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.608 -15.206 -0.847 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.298 -18.994 0.098 1.00 1.00 H new